200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13912-56-6
13912-56-6 | Cyclohexane, 1,3-diisocyanato-2-methyl-
CAS No: 13912-56-6 Catalog No: AG001AC3 MDL No:
Product Description
Catalog Number:
AG001AC3
Chemical Name:
Cyclohexane, 1,3-diisocyanato-2-methyl-
CAS Number:
13912-56-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
1,3-diisocyanato-2-methylcyclohexane
InChI:
InChI=1S/C9H12N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h7-9H,2-4H2,1H3
InChI Key:
OHTRJOZKRSVAOX-UHFFFAOYSA-N
SMILES:
CC1C(CCCC1N=C=O)N=C=O
EC Number:
237-683-1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.